[
  {
    "molid": "mol14088",
    "smiles": "CN1[C@@H]2C[C@@H]3C[C@H]1[C@@H](O)[C@H]2O3",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1[C@@H]2C[C@@H]3C[C@H]1[C@@H](O)[C@H]2O3",
        "std_free_energy": -4.152517795562744,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+]1[C@@H]2C[C@@H]3C[C@H]1[C@@H](O)[C@H]2O3",
        "std_free_energy": -7.833254814147949,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.2,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]